5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine

C71H73Cl3F8N26O — CID 161429506

About 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine

5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine (PubChem CID 161429506) has the molecular formula C71H73Cl3F8N26O and a molecular weight of 1564.89 g/mol. Its IUPAC name is 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine
• PubChem CID: 161429506
• Molecular Formula: C71H73Cl3F8N26O
• Molecular Weight: 1564.89 g/mol
• Exact Mass: 1562.54
• IUPAC Name: 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine
• SMILES: N#Cc1ncc(Cl)nc1Cl.N#Cc1ncc(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Cl.N#Cc1ncc(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1ccc2ncccc2c1.NC(=O)c1ncc(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1ccc2ncccc2c1.N[C@@H]1CCCC(F)(F)[C@@H]1N.Nc1ccc2ncccc2c1
• InChI: InChI=1S/C20H21F2N7O.C20H19F2N7.C11H12ClF2N5.C9H8N2.C6H12F2N2.C5HCl2N3/c21-20(22)7-1-4-14(17(20)23)28-15-10-26-16(18(24)30)19(29-15)27-12-5-6-13-11(9-12)3-2-8-25-13;21-20(22)7-1-4-15(18(20)24)28-17-11-26-16(10-23)19(29-17)27-13-5-6-14-12(9-13)3-2-8-25-14;12-10-7(4-15)17-5-8(19-10)18-6-2-1-3-11(13,14)9(6)16;10-8-3-4-9-7(6-8)2-1-5-11-9;7-6(8)3-1-2-4(9)5(6)10;6-4-2-9-3(1-8)5(7)10-4/h2-3,5-6,8-10,14,17H,1,4,7,23H2,(H2,24,30)(H2,27,28,29);2-3,5-6,8-9,11,15,18H,1,4,7,24H2,(H2,27,28,29);5-6,9H,1-3,16H2,(H,18,19);1-6H,10H2;4-5H,1-3,9-10H2;2H/t14-,17-;15-,18-;6-,9-;;4-,5-;/m111.1./s1
• InChIKey: VXVAIYZYQPXMDH-XXCPOLCQSA-N
• XLogP: 12.22
• TPSA: 472.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 11
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1564.89
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine?

The IUPAC name of 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine (CID 161429506) is 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine.

What is the SMILES notation for 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine?

The canonical SMILES for 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine is N#Cc1ncc(Cl)nc1Cl.N#Cc1ncc(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Cl.N#Cc1ncc(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1ccc2ncccc2c1.NC(=O)c1ncc(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1ccc2ncccc2c1.N[C@@H]1CCCC(F)(F)[C@@H]1N.Nc1ccc2ncccc2c1.

What is the InChIKey of 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine?

The InChIKey is VXVAIYZYQPXMDH-XXCPOLCQSA-N. The full InChI is InChI=1S/C20H21F2N7O.C20H19F2N7.C11H12ClF2N5.C9H8N2.C6H12F2N2.C5HCl2N3/c21-20(22)7-1-4-14(17(20)23)28-15-10-26-16(18(24)30)19(29-15)27-12-5-6-13-11(9-12)3-2-8-25-13;21-20(22)7-1-4-15(18(20)24)28-17-11-26-16(10-23)19(29-17)27-13-5-6-14-12(9-13)3-2-8-25-14;12-10-7(4-15)17-5-8(19-10)18-6-2-1-3-11(13,14)9(6)16;10-8-3-4-9-7(6-8)2-1-5-11-9;7-6(8)3-1-2-4(9)5(6)10;6-4-2-9-3(1-8)5(7)10-4/h2-3,5-6,8-10,14,17H,1,4,7,23H2,(H2,24,30)(H2,27,28,29);2-3,5-6,8-9,11,15,18H,1,4,7,24H2,(H2,27,28,29);5-6,9H,1-3,16H2,(H,18,19);1-6H,10H2;4-5H,1-3,9-10H2;2H/t14-,17-;15-,18-;6-,9-;;4-,5-;/m111.1./s1.

What are the key properties of 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine?

5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine has a molecular weight of 1564.89 g/mol, XLogP of 12.22, 11 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-chloropyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carbonitrile;5-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-3-(quinolin-6-ylamino)pyrazine-2-carboxamide;3,5-dichloropyrazine-2-carbonitrile;quinolin-6-amine;trans-(1R,2R)-3,3-difluorocyclohexane-1,2-diamine is sourced from PubChem (CID 161429506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).